V001-7685 Screening compound: 2-{2,4-dioxo-3-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroquinazolin-1-yl}-N-{[3-(trifluoromethyl)phenyl]methyl}acetamide

V001-7685 Screening compound: 2-{2,4-dioxo-3-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroquinazolin-1-yl}-N-{[3-(trifluoromethyl)phenyl]methyl}acetamide
V001-7685 Screening compound: 2-{2,4-dioxo-3-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroquinazolin-1-yl}-N-{[3-(trifluoromethyl)phenyl]methyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V001-7685
2-{2,4-dioxo-3-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroquinazolin-1-yl}-N-{[3-(trifluoromethyl)phenyl]methyl}acetamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

V001-7685

Molecular Formula

C25H17F6N3O3 (C25 H17 F6 N3 O3)

Compound Name

2-{2,4-dioxo-3-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroquinazolin-1-yl}-N-{[3-(trifluoromethyl)phenyl]methyl}acetamide

IUPAC name

2-{24-dioxo-3-[3-(trifluoromethyl)phenyl]-1234-tetrahydroquinazolin-1-yl}-N-{[3-(trifluoromethyl)phenyl]methyl}acetamide

SMILES

O=C(CN(c(cccc1)c1C(N1c2cccc(C(F)(F)F)c2)=O)C1=O)NCc1cc(C(F)(F)F)ccc1

InChI

InChI=1S/C25H17F6N3O3/c26-24(27,28)16-6-3-5-15(11-16)13-32-21(35)14-33-20-10-2-1-9-19(20)22(36)34(23(33)37)18-8-4-7-17(12-18)25(29,30)31/h1-12H,13-14H2,(H,32,35)

InChI Key

WVLBZPOCMKYTOX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19784936

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

521.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.135

Distribution Coefficient, logD

4.135

Water Solubility, LogSw

-4.44

Polar Surface Area

55.127

Acid Dissociation Constant (pKa)

13.42

Base Dissociation Constant (pKb)

-1.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

V001-7685 in Drug Discovery

Included in Screening Libraries

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with V001-7685 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V001-7685?
Check Price and Availability of V001-7685, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of V001-7685 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V001-7685
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V001-7685
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of V001-7685 available by request